Home Amines 1001288-58-9
1001288-58-9,MFCD28502026
Catalog No.:AA0000YA
1001288-58-9 | Benzoic acid, 2-[[(2E)-3-[3-methoxy-4-(2-propyn-1-yloxy)phenyl]-1-oxo-2-propen-1-yl]amino]-
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2mg
98%
1 week  
$195.00
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5mg
98%
1 week  
$270.00
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10mg
98%
1 week  
$405.00
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50mg
98%
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$1,410.00
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100mg
98%
1 week  
$2,445.00
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  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0000YA
Chemical Name:
Benzoic acid, 2-[[(2E)-3-[3-methoxy-4-(2-propyn-1-yloxy)phenyl]-1-oxo-2-propen-1-yl]amino]-
CAS Number:
1001288-58-9
Molecular Formula:
C20H17NO5
Molecular Weight:
351.3527
MDL Number:
MFCD28502026
IUPAC Name:
2-[[(E)-3-(3-methoxy-4-prop-2-ynoxyphenyl)prop-2-enoyl]amino]benzoic acid
InChI:
InChI=1S/C20H17NO5/c1-3-12-26-17-10-8-14(13-18(17)25-2)9-11-19(22)21-16-7-5-4-6-15(16)20(23)24/h1,4-11,13H,12H2,2H3,(H,21,22)(H,23,24)/b11-9+
InChI Key:
UIWZIDIJCUEOMT-PKNBQFBNSA-N
SMILES:
C#CCOc1ccc(cc1OC)/C=C/C(=O)Nc1ccccc1C(=O)O
Properties
Computed Properties
 
Complexity:
564  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
351.111g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
351.358g/mol
Monoisotopic Mass:
351.111g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  

Synonyms
 
FT011 
FT011 
AKOS032945056 
CS-5842 
SB16798 
HY-100495 
(E)-2-[[3-(3-methoxy-4-(prop-2-ynyloxy)phenyl)-1-oxo-2-propenyl]amino]benzoic acid 
(E)-2-[[3-(3-methoxy-4-propargyloxyphenyl)-1-oxo-2-propenyl]amino]benzoic acid 
Benzoic acid, 2-[[(2E)-3-[3-methoxy-4-(2-propyn-1-yloxy)phenyl]-1-oxo-2-propen-1-yl]amino]- 
FT-011 
1001288-58-9 
FT-11 
Benzoic acid, 2-[[(2E)-3-[3-methoxy-4-(2-propyn-1-yloxy)phenyl]-1-oxo-2-propen-1-yl]amino]-;Benzoic acid, 2-[[(2E)-3-[3-methoxy-4-(2-propyn-1-yloxy)phenyl]-1-oxo-2-propen-1-yl]amino]- 
SCHEMBL1590608 
SCHEMBL1590611 
CHEMBL1075834 
UIWZIDIJCUEOMT-PKNBQFBNSA-N 
ZINC49050436 
Literature

Title: FT011, a new anti-fibrotic drug, attenuates fibrosis and chronic heart failure in experimental diabetic cardiomyopathy.

Journal: European journal of heart failure 20120501

Title: Evaluation and optimization of antifibrotic activity of cinnamoyl anthranilates.

Journal: Bioorganic & medicinal chemistry letters 20091215

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